2-[(4E)-octa-4,7-dienoxy]ethanol

C10H18O2 — CID 87090687

IUPAC2-[(4E)-octa-4,7-dienoxy]ethanol
SMILESC=CC/C=C/CCCOCCO
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-7-9-12-10-8-11/h2,4-5,11H,1,3,6-10H2/b5-4+
InChIKeyBMAATDQJPMBUDB-SNAWJCMRSA-N
MW170.25 g/mol
LogP1.91
Rot. Bonds8

About 2-[(4E)-octa-4,7-dienoxy]ethanol

2-[(4E)-octa-4,7-dienoxy]ethanol (PubChem CID 87090687) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[(4E)-octa-4,7-dienoxy]ethanol.

Molecular Properties

Compound Name2-[(4E)-octa-4,7-dienoxy]ethanol
PubChem CID87090687
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[(4E)-octa-4,7-dienoxy]ethanol
SMILESC=CC/C=C/CCCOCCO
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-7-9-12-10-8-11/h2,4-5,11H,1,3,6-10H2/b5-4+
InChIKeyBMAATDQJPMBUDB-SNAWJCMRSA-N
XLogP1.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-octa-4,7-dienoxyethanol
CID 123490176
2-[2-[2-[2-(2-octa-2,7-dienoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 87170296
2-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 170920421
2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethanol
CID 85060270
2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619770
2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619769
4-[(9Z,12Z)-octadeca-9,12-dienoxy]butan-1-ol
CID 138620632
(9Z,12Z)-18-[(6Z,9Z)-18-hydroxyoctadeca-6,9-dienoxy]octadeca-9,12-dienal
CID 170322636
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 175701679
2-[8-(2-hydroxyethoxy)octoxy]ethanol
CID 174919525
bis(8-ethoxyocta-1,6-diene);bis(2-octa-2,7-dienoxyethanol);oxotitanium(2+)
CID 87836311
dodeca-1,4,10-triene
CID 174048310

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-octa-4,7-dienoxy]ethanol?
The IUPAC name of 2-[(4E)-octa-4,7-dienoxy]ethanol (CID 87090687) is 2-[(4E)-octa-4,7-dienoxy]ethanol.
What is the SMILES notation for 2-[(4E)-octa-4,7-dienoxy]ethanol?
The canonical SMILES for 2-[(4E)-octa-4,7-dienoxy]ethanol is C=CC/C=C/CCCOCCO.
What is the InChIKey of 2-[(4E)-octa-4,7-dienoxy]ethanol?
The InChIKey is BMAATDQJPMBUDB-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-3-4-5-6-7-9-12-10-8-11/h2,4-5,11H,1,3,6-10H2/b5-4+.
What are the key properties of 2-[(4E)-octa-4,7-dienoxy]ethanol?
2-[(4E)-octa-4,7-dienoxy]ethanol has a molecular weight of 170.25 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-octa-4,7-dienoxy]ethanol is sourced from PubChem (CID 87090687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).